| Pubchem ID | 5319765 |
|---|---|
| CAS | 17619-36-2 |
| IUPAC name | 1-(methyltrisulfanyl)propane |
| Synonyms | Trisulfide, methyl propyl|Propyl methyl trisulfide|Methyl propyl trisulphide|Methylpropyltrisulfide |
| Categories | Flavor enhancer |
| SMILES | CCCSSSC |
| InCheykey | InChI=1S/C4H10S3/c1-3-4-6-7-5-2/h3-4H2,1-2H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 154.304 | 0 | 3 | 4 | 75.9 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Weaker / Non binder | Very High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |